refinement based on 107 NOE's 11 J coupling restraints and 3 dihedral restraints. See citation for full description.

NMR Ensemble Information

Conformer Selection Criteria

No NOE violations greter than 0.15A, no coupling violation greater than 0.5 Hz, no angle violation greater than 5 deg.

Conformers Calculated Total Number

200

Conformers Submitted Total Number

59

Representative Model Choice Rationale

1

closest to the average

Additional NMR Experimental Information

1

Coordinates are given only for the experimentally defined glycopeptide core residues. These are comprised of the amino acid units in the peptide and the N-acetyl-galactosamine. Coordinates for the terminal galactose and sialic acid of each of the glycans are not included.